2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol

C13H20FNO2 — CID 112616142

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
SMILESCCN(Cc1cccc(F)c1O)C(C)COC
InChIInChI=1S/C13H20FNO2/c1-4-15(10(2)9-17-3)8-11-6-5-7-12(14)13(11)16/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyXBVPEFKPAUJVDM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.39
Rot. Bonds6

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol (PubChem CID 112616142) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
PubChem CID112616142
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
SMILESCCN(Cc1cccc(F)c1O)C(C)COC
InChIInChI=1S/C13H20FNO2/c1-4-15(10(2)9-17-3)8-11-6-5-7-12(14)13(11)16/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyXBVPEFKPAUJVDM-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 112553496
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 55011380
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
CID 112553492
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222
methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate
CID 103749450

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol (CID 112616142) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol is CCN(Cc1cccc(F)c1O)C(C)COC.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol?
The InChIKey is XBVPEFKPAUJVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-15(10(2)9-17-3)8-11-6-5-7-12(14)13(11)16/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol has a molecular weight of 241.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 112616142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).